3-(1-butyl-2-methyl-indol-3-yl)-3H-2-benzofuran-1-one

Systemtic Name: 3-(1-butyl-2-methyl-indol-3-yl)-3H-2-benzofuran-1-one Openeye Name: 3-(1-butyl-2-methyl-indol-3-yl)-3H-isobenzofuran-1-one CAS Name: 3-(1-butyl-2-methyl-3-indolyl)-3H-isobenzofuran-1-one IUPAC Name: 3-(1-butyl-2-methylindol-3-yl)-3H-2-benzofuran-1-one Traditional Name: 3-(1-butyl-2-methyl-indol-3-yl)phthalide Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=CC=CC=C21)C3C4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

CCCCN1C(=C(C2=CC=CC=C21)C3C4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C21H21NO2/c1-3-4-13-22-14(2)19(17-11-7-8-12-18(17)22)20-15-9-5-6-10-16(15)21(23)24-20/h5-12,20H,3-4,13H2,1-2H3